[(E)-6-oxidanylidene-6-phenyl-hex-2-enyl] nitrate

Systemtic Name: [(E)-6-oxidanylidene-6-phenyl-hex-2-enyl] nitrate Openeye Name: [(E)-6-oxo-6-phenyl-hex-2-enyl] nitrate CAS Name: nitric acid [(E)-6-oxo-6-phenylhex-2-enyl] ester IUPAC Name: [(E)-6-oxo-6-phenylhex-2-enyl] nitrate Traditional Name: nitric acid [(E)-6-keto-6-phenyl-hex-2-enyl] ester Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCC=CCO[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC/C=C/CO[N+](=O)[O-]

InChI

InChI=1S/C12H13NO4/c14-12(11-7-3-1-4-8-11)9-5-2-6-10-17-13(15)16/h1-4,6-8H,5,9-10H2/b6-2+